# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84368497
_cell_length_b   14.55825664
_cell_length_c   51.11687004
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr36 Ni36'
_cell_volume   2860.36470115
_cell_formula_units_Z   36
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.255176  0.165609  0.311581  1
  Zr  Zr2  1  0.255176  0.801291  0.405939  1
  Zr  Zr3  1  0.255176  0.983449  0.357927  1
  Zr  Zr4  1  0.755176  0.969572  0.304212  1
  Zr  Zr5  1  0.755176  0.608343  0.397700  1
  Zr  Zr6  1  0.755176  0.791314  0.350089  1
  Zr  Zr7  1  0.255176  0.301291  0.405939  1
  Zr  Zr8  1  0.255176  0.483449  0.357927  1
  Zr  Zr9  1  0.255176  0.665609  0.311581  1
  Zr  Zr10  1  0.755176  0.291314  0.350089  1
  Zr  Zr11  1  0.755176  0.469572  0.304212  1
  Zr  Zr12  1  0.755176  0.108343  0.397700  1
  Zr  Zr13  1  0.255176  0.619334  0.453605  1
  Zr  Zr14  1  0.255176  0.255125  0.548929  1
  Zr  Zr15  1  0.255176  0.437222  0.501383  1
  Zr  Zr16  1  0.755176  0.426391  0.445615  1
  Zr  Zr17  1  0.755176  0.062183  0.540939  1
  Zr  Zr18  1  0.755176  0.244294  0.493161  1
  Zr  Zr19  1  0.255176  0.755125  0.548929  1
  Zr  Zr20  1  0.255176  0.937222  0.501383  1
  Zr  Zr21  1  0.255176  0.119334  0.453605  1
  Zr  Zr22  1  0.755176  0.744294  0.493161  1
  Zr  Zr23  1  0.755176  0.926391  0.445615  1
  Zr  Zr24  1  0.755176  0.562183  0.540939  1
  Zr  Zr25  1  0.255176  0.073174  0.596844  1
  Zr  Zr26  1  0.255176  0.711944  0.690332  1
  Zr  Zr27  1  0.255176  0.890203  0.644455  1
  Zr  Zr28  1  0.755176  0.880226  0.588605  1
  Zr  Zr29  1  0.755176  0.515907  0.682963  1
  Zr  Zr30  1  0.755176  0.698067  0.636617  1
  Zr  Zr31  1  0.255176  0.211944  0.690332  1
  Zr  Zr32  1  0.255176  0.390203  0.644455  1
  Zr  Zr33  1  0.255176  0.573174  0.596844  1
  Zr  Zr34  1  0.755176  0.198067  0.636617  1
  Zr  Zr35  1  0.755176  0.380226  0.588605  1
  Zr  Zr36  1  0.755176  0.015907  0.682963  1
  Ni  Ni37  1  0.255176  0.491174  0.413283  1
  Ni  Ni38  1  0.255176  0.672490  0.365541  1
  Ni  Ni39  1  0.255176  0.853587  0.317863  1
  Ni  Ni40  1  0.755176  0.101938  0.341812  1
  Ni  Ni41  1  0.755176  0.282166  0.295471  1
  Ni  Ni42  1  0.755176  0.918876  0.390964  1
  Ni  Ni43  1  0.255176  0.172490  0.365541  1
  Ni  Ni44  1  0.255176  0.353587  0.317863  1
  Ni  Ni45  1  0.255176  0.991174  0.413283  1
  Ni  Ni46  1  0.755176  0.418876  0.390964  1
  Ni  Ni47  1  0.755176  0.601938  0.341812  1
  Ni  Ni48  1  0.755176  0.782166  0.295471  1
  Ni  Ni49  1  0.255176  0.944700  0.556407  1
  Ni  Ni50  1  0.255176  0.126766  0.508626  1
  Ni  Ni51  1  0.255176  0.308860  0.460924  1
  Ni  Ni52  1  0.755176  0.554751  0.485918  1
  Ni  Ni53  1  0.755176  0.736817  0.438137  1
  Ni  Ni54  1  0.755176  0.372657  0.533620  1
  Ni  Ni55  1  0.255176  0.626766  0.508626  1
  Ni  Ni56  1  0.255176  0.808860  0.460924  1
  Ni  Ni57  1  0.255176  0.444700  0.556407  1
  Ni  Ni58  1  0.755176  0.872657  0.533620  1
  Ni  Ni59  1  0.755176  0.054751  0.485918  1
  Ni  Ni60  1  0.755176  0.236817  0.438137  1
  Ni  Ni61  1  0.255176  0.399350  0.699073  1
  Ni  Ni62  1  0.255176  0.579579  0.652732  1
  Ni  Ni63  1  0.255176  0.762640  0.603580  1
  Ni  Ni64  1  0.755176  0.009027  0.629003  1
  Ni  Ni65  1  0.755176  0.190343  0.581261  1
  Ni  Ni66  1  0.755176  0.827930  0.676681  1
  Ni  Ni67  1  0.255176  0.079579  0.652732  1
  Ni  Ni68  1  0.255176  0.262640  0.603580  1
  Ni  Ni69  1  0.255176  0.899350  0.699073  1
  Ni  Ni70  1  0.755176  0.327930  0.676681  1
  Ni  Ni71  1  0.755176  0.509027  0.629003  1
  Ni  Ni72  1  0.755176  0.690343  0.581261  1
